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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Contaminant Transport Simulation with the P2R Model for the Composite Analysis Base Case

In order to meet the requirements of U.S. Department of Energy (DOE) in DOE O 435.1, Radioactive Waste Management, a composite analysis (CA) must be completed for the Central Plateau at the Hanford Site. The updated Hanford CA requires estimates of fate and transport of radionuclides in the groundwater from multiple sources within and downgradient of the Central Plateau.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

DECOVALEX-2023: Task F1 Final Report

DECOVALEX-2023 Task F is a comparison of models and methods for post-closure performance assessment (PA) of a deep geologic repository for radioactive waste. The general aims of Task F are to build confidence in the models, methods, and software used for PA and to stimulate additional research and development in PA methodologies. The task objectives are to motivate development of PA modelling skills and capabilities, to examine the influence of model choices on calculated repository performance, and to compare the uncertainties introduced by model choices to other sources of uncertainty. Task F involves no actual experiment or site. It is a PA modelling exercise that requires the conceptual development of hypothetical repository designs and geologic settings. Because three of the teams were interested in salt and the rest of the teams were interested in crystalline rock, Task F was split into two branches: Task F1 for crystalline rock and Task F2 for salt. This report is for Task F1, crystalline rock. Teams from seven countries (Canada, Czech Republic, Germany, Korea, Sweden, Taiwan, and United States) participated in Task F1. The teams worked together to define the features, events, and processes of the reference case repository and established a set of performance measures. In addition, they defined a set of benchmark problems designed to test and compare modelling capabilities for fracture flow and transport at different scales. The repository design and benchmark problems are documented in a Task Specification that evolved over time as the group honed the specifications. The benchmark problems verified that each team can aptly model flow and transport in fractured media in 1-, 2-, and 3-dimensions. Two general approaches were used for the 3-dimensional benchmarks: discrete fracture network (DFN) and equivalent continuous porous medium (ECPM). DFN modelling involves explicit meshing of each fracture while ECPM modelling aims to capture the effective porosity and directional permeability of each cell in a space-filling mesh as affected by intersecting fractures. In some models, a combination of the two is used, i.e., DFN for large known fractures and ECPM for the rest of the domain. Transport is solved by using either the advection-dispersion equation or particle tracking. Although some variation is observed among model breakthrough curves in the benchmark problems, there is strong agreement in breakthrough behaviour up to at least the 75 th percentile for all benchmarks. At the 90 th percentile, breakthrough results show larger differences, suggesting several models retain substantially higher fractions of tracer in regions of slower moving water. In addition to the flow and transport benchmarks, several teams completed the source term benchmark, verifying capabilities for modelling radionuclide decay and ingrowth, waste package breach, instant release fractions, fuel matrix degradation rates, and radionuclide solubility limitations. The reference case is conceptualized as a generic spent fuel repository at a depth of 450 m in fractured crystalline rock. The repository has 50 parallel backfilled drifts, each with 50 deposition holes 6 m apart. Each deposition hole contains a 4-PWR waste package and bentonite buffer. The rock domain is 5 km in length, 2 km in width, and 1 km in depth. It has 6 deterministic fractured deformation zones and a multitude of stochastic fractures. Teams generally used the ECPM approach for the entire rock or a hybrid approach in which the deterministic fracture zones are modelled with a DFN and the rest of the rock is modelled by ECPM. Of the reference case problems specified, only the results of the initial reference case problem are compared in this report. The initial problem focuses on transport from the deposition holes to the surface, i.e., it neglects waste package performance. Tracers are released at all waste package locations at time zero and tracked for their releases to the near field and ground surface. The water fluxes calculated at the ground surface entry and exit regions of the domain are similar for all models except for two that have considerably lower fluxes. For tracer transport, large differences are observed among models in the magnitude of tracer transported. Much of the difference appears to be due to how the repository is implemented and hence the different degrees of repository simplification. Models that exclude the drifts, buffer, and backfill from the domain tend to show greater release of tracers and radionuclides from the repository. The initial study presented here indicates that major differences in modelling important processes within the repository (e.g., diffusion through buffer and backfill) can produce broadly different release and transport results, especially when those processes are excluded. Even for the models that included all specified features, events, and processes, the results show significant differences and demonstrate the importance of examining multiple modelling approaches in performance assessment. The differences in results observed in this study are expected to motivate teams to either increase complexity in future versions of the reference case models or to improve methods to account for the effects of simplified features and processes. Either way, future improvements in these models are expected to produce results that more closely agree.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2014

Novel Catalysts and Processing Technologies for Production of Aerospace Fuels from Non-Petroleum Raw Materials

Transportation fuels production (including aerospace propellants) from non-traditional sources (gases, waste materials, and biomass) has been an active area of research and development for decades. Reducing terrestrial waste streams simultaneous with energy conversion, plentiful biomass, new low-cost methane sources, and/or extra-terrestrial resource harvesting and utilization present significant technological and business opportunities being realized by a new generation of visionary entrepreneurs. We examine several new approaches to catalyst fabrication and new processing technologies to enable utilization of these nontraditional raw materials. Two basic processing architectures are considered: a single-stage pyrolysis approach that seeks to basically re-cycle hydrocarbons with minimal net chemistry or a two-step paradigm that involves production of supply or synthesis gas (mainly carbon oxides and H2) followed by production of fuel(s) via Sabatier or methanation reactions and/or Fischer-Tröpsch synthesis. Optimizing the fraction of product stream relevant to targeted aerospace (and other transportation) fuels via modeling, catalyst fabrication and novel reactor design are described. Energy utilization is a concern for production of fuels for either terrestrial or space operations; renewable sources based on solar energy and/or energy efficient processes may be mission enabling. Another important issue is minimizing impurities in the product stream(s), especially those potentially posing risks to personnel or operations through (catalyst) poisoning or (equipment) damage. Technologies being developed to remove (and/or recycle) heteroatom impurities are briefly discussed as well as the development of chemically robust catalysts whose activities are not diminished during operation. The potential impacts on future missions by such new approaches as well as balance of system issues are addressed.

space processing↗
DOE OSTI2023

Simulation and Optimization of Volatile Fatty Acid Upgrading Strategies for Sustainable Transportation Fuel Production

The multicomponent nature of and variability of biomass makes chemical upgrading via a single process stream to a single end use infeasible for most feedstocks. A more promising approach is to identify upgrading strategies (encompassing bioprocessing, catalysis, and separations) which valorize varied biomass fractions to distinct products to which each is best suited. A robust procedure to carry out this goal should incorporate comparison of various upgrading procedures as well as suitability of products to a slate of identified end uses. We applied this strategy to one biomass-derived feedstock, volatile fatty acids (VFAs) derived from wet waste arrested anaerobic digestion, by developing a computer program, VFA Upgrading to Liquid Transportation fUels Refinery Estimation (VULTURE) which evaluates VFA catalytic upgrading to liquid transportation fuels. VULTURE considers multiple separations, catalysis (ketonization, hydrogenation), and fuel application options, generating hundreds of candidate scenarios for a given VFA stream, then selects several promising strategies that optimize bio-content of products with properties best suited for target fuel types. We find that VFAs are upgraded most efficiently when separate light alcohol (C3-6) and heavy hydrocarbon or alcohol (C7-13) fractions are targeted to create gasoline and heavy-duty (diesel or jet) fuels or fuel blends. Surrogate property testing of VULTURE-recommended fuels reveals that most predictive models employed are robust, while rigorous process simulation shows that the simple unit operation assumptions used in VULTURE are largely accurate, especially for heavy-duty fuel synthesis. Techno-economic and life-cycle analyses show that VFA-derived fuels are profitable and have dramatically (=57%) lower carbon intensities than fossil analogs.

BIOMASS FUELS↗
NASA NTRS2014

Novel Catalysts and Processing Technologies for Production of Aerospace Fuels from Non-Petroleum Raw Materials

Transportation fuels production (including aerospace propellants) from non-traditional sources (gases, waste materials, and biomass) has been an active area of research and development for decades. Reducing terrestrial waste streams simultaneous with energy conversion, plentiful biomass, new low-cost methane sources, and/or extra-terrestrial resource harvesting and utilization present significant technological and business opportunities being realized by a new generation of visionary entrepreneurs. We examine several new approaches to catalyst fabrication and new processing technologies to enable utilization of these non-traditional raw materials. Two basic processing architectures are considered: a single-stage pyrolysis approach that seeks to basically re-cycle hydrocarbons with minimal net chemistry or a two-step paradigm that involves production of supply or synthesis gas (mainly carbon oxides and hydrogen) followed by production of fuel(s) via Sabatier or methanation reactions and/or Fischer-Tropsch synthesis. Optimizing the fraction of product stream relevant to targeted aerospace (and other transportation) fuels via modeling, catalyst fabrication and novel reactor design are described. Energy utilization is a concern for production of fuels for either terrestrial or space operations; renewable sources based on solar energy and/or energy efficient processes may be mission enabling. Another important issue is minimizing impurities in the product stream(s), especially those potentially posing risks to personnel or operations through (catalyst) poisoning or (equipment) damage. Technologies being developed to remove (and/or recycle) heteroatom impurities are briefly discussed as well as the development of chemically robust catalysts whose activity are not diminished during operation. The potential impacts on future missions by such new approaches as well as balance of system issues are addressed.

propellants↗
DOE OSTI2024

Review: Pre-Darcy flows in low-permeability porous media

The widely used Darcy’s law specifies a linear relation between the Darcy velocity of fluid flow and the pressure gradient that drives the flow. However, studies have shown that Darcy velocity can exhibit a nonlinear dependence on the pressure gradient in low-permeability porous media such as clay and shale when the pressure gradient is adequately low. This phenomenon is referred to as low-velocity non-Darcian flow or pre-Darcy flow. This paper provides a comprehensive review of the theories, experimental data, and modeling methods for pre-Darcy flow in low-permeability porous media. The review begins by outlining the fundamental mechanisms underlying pre-Darcy flow that regulate the unique characteristics such as nonlinear dependence of the Darcy velocity on the pressure gradient and its relevance to fluid–rock interactions. The review then proceeds to present a thorough compilation of experimental investigations performed in various low-permeability geomaterials including tight sandstones, shales, and clays. Next, empirical and theoretical models and simulation methods that have been developed to fit and interpret experimental data are reviewed. Finally, the review underscores the challenges encountered in conducting and interpreting pre-Darcy flow experiments and suggests future research directions. By analyzing previous experimental investigations, this review aims to offer a valuable resource for researchers and practitioners seeking to enhance their understanding of fluid dynamics in low-permeability geomaterials. This provides insights into the application of pre-Darcy flow in numerous natural and engineered processes such as shale oil and gas recovery, contaminant transport in low-permeability aquifers, and geological disposal of nuclear waste.

58 GEOSCIENCES↗
DOE OSTI2021

Stratigraphic Identification with Airborne Electromagnetic Methods at the Hanford Site, Washington

Stratigraphic units can influence the fate and transport of subsurface contaminants within groundwater. Units having coarse-grained sediments act as preferential flow pathways, and therefore can accelerate the transport of contaminants to reach human and ecological receptors. At legacy waste sites, detailed knowledge of subsurface stratigraphy can be used for effective monitoring and remediation planning to help minimize risk to human health and the environment. Airborne electromagnetic (AEM) methods can non-invasively provide information on kilometer-scale or larger subsurface stratigraphic features and fill informational gaps in directly sampled data from sparsely located boreholes. In this paper, we present inversion results of a 412 line-km frequency-domain AEM survey to delineate subsurface stratigraphic features at the Hanford Site, located in southeastern Washington State. The inversion was performed using a massively parallel 3D electromagnetic modeling and inversion code, where the modeling is based on solving frequency-domain Maxwell’s equations using an unstructured-mesh finite-element method and the inversion employs a Gauss-Newton optimization scheme. The results are compared to an underlying geologic framework model (GFM), built by interpolating contact depths of stratigraphic units interpreted from site borehole datasets. In areas with good borehole coverage, the inversion results show a good match with the GFM to a depth of about 60 m. Outside of these areas, the inversion results exhibit inconsistencies from the assumptions made to create the GFM, demonstrating that the AEM survey results can be used to improve the understanding of the geological conceptual model.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Visualizing Vehicle Acceleration and Braking Energy at Intersections along a Major Traffic Corridor

Automobiles approaching a controlled intersection need to brake and come to a full stop when the signal transitions from green to red, and the vehicle must later accelerate to normal speeds after the signal changes back to green. These stops and starts associated with normal signal changes lead to unnecessary energy consumption and vehicle emissions. Previous studies have revealed that the optimization of traffic intersections' signal controls and coordination facilitates smoother traffic flows with reduced stop-and-go driving, which can significantly reduce traffic congestion and unnecessary fuel waste. This paper presents an interactive visual analytics dashboard that allows transportation planners to explore and analyze energy consumption patterns resulting from temporally varying traffic signal phases at multiple intersections along a major transportation corridor using traffic simulation outputs. The visual dashboard is implemented as an accessible and responsive web application and employs a combination of visualization techniques to cover multiple aspects of vehicle acceleration and braking at multiple adjacent intersections along a corridor. The paper presents a case study of a simulated traffic scenario on the Shallowford Road traffic corridor located in Chattanooga, Tennessee to demonstrate the capability of the visual dashboard.

Xu, Haowen↗
NASA NTRS1978

A review of NASA-sponsored technology assessment projects

Recent technology assessment studies sponsored by NASA are reviewed, and a summary of the technical results as well as a critique of the methodologies are presented. The reviews include Assessment of Lighter-Than-Air Technology, Technology Assessment of Portable Energy RDT&P, Technology Assessment of Future Intercity Passenger Transportation Systems, and Technology Assessment of Space Disposal of Radioactive Nuclear Waste. The use of workshops has been introduced as a unique element of some of these assessments. Also included in this report is a brief synopsis of a method of quantifying opinions obtained through such group interactions. Representative of the current technology assessments, these studies cover a broad range of socio-political factors and issues in greater depth than previously considered in NASA sponsored studies. In addition to the lessons learned through the conduct of these studies, a few suggestions for improving the effectiveness of future technology assessments are provided.

Mascy, A. C.↗
NASA NTRSDate not supplied

Radiation and Nuclear Technology in Planetary Cave Environments

Many technological and environmental challenges must be resolved to enable successful lunar habitation and exploration, and to maximize scientific return. This presentation is intended as a preliminary discussion on three such areas of interest with the intent to identify likely areas of mutual benefit for collaboration and data sharing between the space nuclear and radiological disciplines with the planetary cave community. First is the previously identified and studied possible application of lunar lava tubes or pits to reduce the solar and cosmic radiation environment burden on crew health and hardware reliability. This is an area of continued interest, and should be kept in the forefront of discussion during the selection of sites for potential exploration or long-term habitation. In theory, the prospect of using existing morphology presents an enticing opportunity to reduce the requirements on landed mass or construction while also reducing dose or fluence of harmful natural radiation. However, such discussions should also include the practical implications of relocating habitation hardware and personnel from a landing site to a subsurface location. Inherent risks associated with landing in proximity to the relevant terrain must also be considered and weighed against those imposed by the natural radiation environment. Second is a discussion on the means by which a long-term habitation module or base of operations may be powered throughout the lunar day-night cycle. Fission surface power presents an opportunity to establish round-the-clock power in any lunar surface environment, including permanently shadowed regions where solar panels cannot operate, or in any other non-polar region where solar radiation is available for no more than two weeks per four-week cycle. Among the drawbacks of fission surface power is the need to either land and co-locate a heavy shield to minimize radiological consequences to personnel or equipment, land and operate construction equipment capable of restructuring the in-situ regolith to provide appropriate shielding, or to make use of existing topology features (e.g. craters or pits) to serve as pre-formed radiation barriers. A realistic assessment of the practicality of this third option should involve the selection of candidate features from existing surveys, and assess the effectiveness of the approach using modern radiation transport methodologies. Consideration must be made for the needs to reject waste heat in the thermal power conversion process, which typically requires the use of large area radiators. Energy must be exchanged from the reactor and power conversion system to such radiators, and the impacts on thermal efficiency and secondary scatter of nuclear radiation must be considered. Further consideration should be made for the implications of placement of a power source such that it does not sacrifice valuable scientific opportunity. Placement of a reactor is likely to thereafter prevent personnel access within that feature. Third is a discussion on the use of portable radioisotope power systems (RPS) within confined spaces, both with respect to the dose effects of emitted nuclear radiation and also performance associated with emitted thermal radiation. Radioisotope power systems provide a unique capability to power objects with no reliance upon solar radiance. However, their useable power production relies upon the flow of heat from ‘hot side’ (decaying radioisotope) to ‘cold side’ (radiators emitting heat to space). In the case of a confined volume in vacuum such as a lunar lava tube, that radiated energy will absorb into the wall, which is already above the ‘cold background’ temperature of dark space, and then gradually rises in temperature. That temperature rise, and its implications on availability of useable electrical power, will depend upon factors such as enclosure volume, thermal emissivity/absorptivity, and thermal conductivity through the depth of absorbing media. The advantages of nuclear technology may prove to enable unique scientific exploration opportunities, both above the lunar surface and below. In turn, the unique advantages of lunar lava tubes or pits may present unique opportunities to enhance the application of these technologies and to mitigate the effects of radiation from both natural and technological sources. A discussion on these pairings may prove to be valuable to all, in our endeavor to explore our neighboring worlds.

Radiation↗
DOE OSTI2026

Used Nuclear Fuel Management Using the Next Generation System Analysis Model

The U.S. Department of Energy (DOE) is leading the National effort to manage the back end of the nuclear fuel cycle, encompassing the safe transportation, storage/staging, and/or eventual disposal of used nuclear fuel (UNF) and high-level radioactive waste. The Next Generation System Analysis Model (NGSAM) is DOE’s discrete-event, agent-based simulation tool designed to model the full life cycle of UNF from reactor discharge to final disposal. NGSAM supports the DOE Office of Spent Fuel and High-Level Waste Disposition by enabling a detailed, scenario-based analysis of logistics, infrastructure, and shipping strategies. NGSAM replaces legacy models with a modern, flexible platform built on Repast Simphony and enhanced by the Process Analysis Tool. NGSAM simulates the movement and interaction of individual fuel assemblies with system components such as canisters, casks, railcars, and facilities. The model integrates with the Java Transportation Operations Model to plan and execute transportation scenarios, supporting both constrained and unconstrained resource allocation. Key features include customizable allocation and acceptance algorithms, detailed facility-level operations, and a Quick Edit tool for rapid scenario adjustments. NGSAM supports multimodal transportation modeling (e.g. rail, road, barge) and provides comprehensive cost, schedule, and infrastructure data. NGSAM utilizes data from sources such as DOE’s STANDARDS UNF database and DOE’s Stakeholder Tool for Assessing Radioactive Transportation, while also allowing user-defined inputs for scenario customization. NGSAM enables stakeholders to evaluate complex UNF management strategies, assess system performance under varying assumptions, and inform decision making for future infrastructure investments. Its modular architecture and integration with other Integrated Waste Management System tools make it a critical asset for planning the safe and efficient disposition of the Nation’s growing UNF inventory.

Craig, Brian [Argonne National Laboratory (ANL)]↗
DOE OSTI2023

Radionuclide transport in fractured chalk under abrupt changes in salinity

Internationally, it has been agreed that geologic repositories for spent fuel and radioactive waste are considered the internationally agreed upon solution for intermediate and long-term disposal. In countries where traditional nuclear waste repository host rocks (e.g., clay, salt, granite) are not available, other low permeability lithologies must be studied. Here, chalk is considered to determine its viability for disposal. Despite chalk's low bulk permeability, it may contain fracture networks that can facilitate radionuclide transport. In arid areas, groundwater salinity may change seasonally due to the mixing between brackish groundwater and fresh meteoric water. Such salinity changes may impact the radionuclides' mobility. In this study, radioactive U(VI) and radionuclide simulant tracers (Sr, Ce and Re) were injected into a naturally fractured chalk core. The mobility of tracers was investigated under abrupt salinity variations. Two solutions were used: a low ionic strength (IS) artificial rainwater (ARW; IS ~0.002) and a high IS artificial groundwater (AGW; IS ~0.2). During the experiments, the tracers were added to ARW, then the carrier was changed to AGW, and vice versa. Ce was mobile only in colloidal form, while Re was transported as a conservative tracer. Both Re and Ce demonstrated no change in mobility due to salinity changes. In contrast, U and Sr showed increased mobility when AGW was introduced and decreased mobility when ARW was introduced into the core. These experimental results, supported by reactive transport modeling, suggest that saline groundwater solutions promote U and Sr release via ion-exchange and enhance their migration in fractured chalk. Here the study emphasizes the impact of salinity variations near spent fuel repositories and their possible impact on radionuclide mobility.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Predictive Contaminant Transport Simulation with the P2R Model for the Composite Analysis Base Case

In order to meet the requirements of U.S. Department of Energy (DOE) in DOE O 435.1 Chg. 1, Radioactive Waste Management, a composite analysis (CA) must be completed for the Central Plateau at the Hanford Site. The updated Hanford Site CA requires estimates of fate and transport of radionuclides in the groundwater from multiple sources within and downgradient of the Central Plateau. Numerical simulations using the MT3D-MST computer code were conducted to evaluate the fate and transport of existing distributions of 16 radionuclides as identified in CP-62184, Hanford Site Composite Analysis: Radionuclide Selection for Groundwater Pathway Evaluation: tritium (H-3), carbon-14 (C-14), chloride- 36 (Cl-36), strontium-90 (Sr-90), technetium-99 (Tc-99), rhenium-187 (Re-187), radium-226 (Ra-226), thorium-230 (Th-230), uranium-232 (U-232), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), neptunium-237 (Np-237), and uranium-238 (U- 238). This document details the application of the P2R Model version 8.3 to predict the fate and transport of contaminants in groundwater on the Central Plateau for the 10,052 year simulation to support the CA. The simulation of fate and transport of contaminants reported in this environmental calculation file (ECF) will support dose predictions as part of the updated Hanford Site CA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Chemical and Radiological Compatibility Testing of 3D Printed Materials

To dramatically increase the adaptability, performance, and safety of processes in support of the Defense Waste Processing Facility (DWPF), Savannah River National Lab (SRNL) plans to perform chemical and radiological compatibility testing on a wide variety of 3D printed materials of interest. The 3D printing process provides numerous strategic operational benefits such as rapid prototyping of complex designs and geometry specific to the needs of the nuclear waste disposition process, as well as on-demand rapid prototyping and iteration with materials that aren’t as accessible through traditional manufacturing methods. Reaction chemistry in simulated waste batches can be matched closely to its radioactive counterpart, but glass reactor vessels have limitations. Vessel geometry can play a big factor in mixing transport limitations, process chemistry, and degradation reaction kinetics. In addition, additive manufacturing allows for much more detailed vessel design than traditional alternatives. Waste processing techniques in DWPF also encounter extreme chemical environments including high pH, strong acids, abrasive slurries, and significant irradiation. To meet these challenges, a matrix of various polymer, ceramic, and metal additive manufacturing materials have been exposed to a suite of chemical environments of interest as well as radioactive dose (such as gamma radiation from 60 Co) to properly test their durability under these conditions. Mass change has been monitored over a period of up to a week in these conditions, as well as added characterization for surface modification through Scanning Electron Microscopy/Electron Dispersive X-ray analysis (SEM/EDX). Further chemical characterization has been monitored through Fourier-Transform InfraRed Spectroscopy (FTIR), with planned investigation via thermal and tensile strength degradation. While the direct product of this research is identification of material(s) that can withstand specific hazardous environments encountered by the mercury water wash tank in DWPF process simulation experiments, the reference base of materials will be used for many other nuclear processes in the pursuit of rapidly developed, cost-efficient, and highly specific devices for environmental remediation and much more.

Wilson, Nathan W. [Savannah River National Laborat↗
DOE OSTI2023

Editorial: Sorption processes in nuclear waste management: data knowledge management and new methodologies for data acquisition/prediction

A fundamental approach to Nuclear Waste Repository research involves the collection of experimental data in a laboratory setting, development of empirical and/or mechanistic numerical models representing those observations, and application of these models (or Reduced Order Models) into reactive transport and performance assessment models as predictive tools for informing society of impacts and risks associated with nuclear waste repository scenarios (Stevens et al., 2020). Therefore, the assimilation and interpretation of experimental data must take advantage of both new data and the rich historical data available in the literature and apply novel modeling approaches to improve predictive tools, particularly from the standpoint of uncertainty quantification, for nuclear waste repository performance assessment (Zavarin et al., 2022).

sorption↗
DOE OSTI2020

Modeling Interfaces to Support Low-Level Waste Disposal System Performance Assessments - 20366

In low-level waste (LLW) disposal sites, interfaces between cementitious materials, used as waste forms and/or engineered barriers, and the surrounding soil or backfill material are often encountered. Reactions across these interfaces may lead to chemical and structural alteration of the cementitious and backfill materials that may ultimately affect long-term performance. For example, the ingress of carbon dioxide from soil gas into a waste tank concrete shell at the Hanford Site or Savannah River Site (SRS) or a low-level waste disposal vault at SRS leads to carbonation of cement hydration products (e.g. portlandite, calcium-silicate hydrate or C-S-H, and ettringite). The result of carbonation is a decrease in pH in the cement paste portion of the tank wall or vault concrete structure that could ultimately lead to de-passivation of the embedded structural steel and, eventually, to cracking. Cracking can lead to increased ingress of water into the structure, corresponding increased release of constituents of concern, and to subsequent increased transport of these constituents to the surrounding environment. The mobility of trace constituents (e.g., radionuclides of concern) in waste forms may increase in response to changes in pH, pore structure, and mineralogical gradients. Depletion of portlandite results in subsequent decalcification of C-S-H that leads to changes in the cement strength and may lead to structural failure. At the boundary between waste forms and concrete vaults, the migration of sulfate ions from the salt waste form (e.g., the saltstone waste form used for LLW disposal at the Savannah River Site in Saltstone Disposal Units, or SDUs) into the barrier or vault concrete has been predicted to result in expansive mineral phase formation (or 'sulfate attack'). Expansive mineral formation could result in cracking and potential loss of structural integrity in the vault concrete. In the performance assessment (PA) for the SRS SDUs, prediction of both the carbonation and sulfate attack fronts are critical to assessing the long-term performance of these LLW disposal vaults. A general purpose geochemical reactive transport model has been developed in LeachXS/ORCHESTRA to evaluate typical interfaces for LLW disposal environments, including SDUs at SRS. The model may be used to predict the long-term performance of interfaces between cementitious materials and saltstone or backfill materials with respect to primary phases by considering mass transport, cement chemistry, geochemical speciation, and multi-ionic diffusion over interfaces between different materials. The present study compares the performance and interactions between vault concrete and saltstone waste form for a representative SDU scenario. The materials were characterized using pH-dependence leaching test (EPA 1313) and semi-dynamic transport tests (EPA 1315) with test results used to parameterize the interface model. The development of a credible inter model provides an important basis for supporting future PAs where carbonation and sulfate attack are important aging and degradation mechanisms. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Intensified biogas to liquid (IBGTL) Process: Experimental validation and modeling analysis

The Intensified Biogas to Liquid (IBGTL) process aims to overcome traditional economy-of-scale barriers in biogas-to-liquid fuel production by integrating bi-reforming and Fischer-Tropsch synthesis (FTS) in a single IBGTL reactor. This reactor operates at uniform pressure with different optimized temperatures across two zones for efficient conversion, utilizing multifunctional bi-reforming catalysts and high-temperature FTS catalysts. Bench scale experiments were carried out using landfill gas (LFG) in a single pass process, and the yield data from these experiments were fed into process scale-up design and techno-economic analysis (TEA) across four scenarios: (1) a single pass process, (2) a process with material recycling, (3) a process with liquefied petroleum gas (LPG) co-product recovery, and (4) a process with electricity generation from the fuel gas produced. TEA identified Scenario 2 as the most cost-effective, achieving a Minimum Fuel Selling Price (MFSP) of $\$4.59$ per gallon, competitive with the current national diesel price of $\$4.7$ per gallon. However, comparison with the conventional two-reactor system highlights the need for catalyst performance improvements. Sensitivity analysis emphasized the importance of manufacturing cost, liquid fuel yield, and biogas flow rate. Further analysis determined that the IBGTL process must achieve a diesel mass yield beyond 11.7% to surpass the economic viability of the conventional TriFTS (Tri-reforming followed by Fischer-Tropsch Synthesis) process. If the IBGTL process attains the TriFTS yield of up to 17%, the resulting MFSP could be approximately 31% lower than the current TriFTS MFSP. Furthermore, renewable energy credits and carbon credits can further enhance the economic viability of BGTL processes.

09 BIOMASS FUELS↗